(4-Amino-2-propyl-benzoimidazol-1-yl)-acetic acid tert-butyl ester
Basic information
- Standard SMILES
CCCc1nc2c(N)cccc2n1CC(=O)OC(C)(C)C- InChIKey
DCKDKFIQMRYRJC-UHFFFAOYSA-N- Molecular formula
- C16H23N3O2
- Average molar mass
- 289.37 g/mol
Names & identifiers
- Preferred name
- (4-Amino-2-propyl-benzoimidazol-1-yl)-acetic acid tert-butyl ester
- IUPAC
- tert-butyl 2-(4-amino-2-propylbenzimidazol-1-yl)acetate
Names & synonyms
SCHEMBL1889761DCKDKFIQMRYRJC-UHFFFAOYSA-N(4-amino-2-propyl-benzoimidazol-1-yl)-acetic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67201653
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Related reactions
1 records
Compound notes
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